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	hartrees
Energy at 0K	-16.090511
Energy at 298.15K	-16.097320
HF Energy	-15.843475
Nuclear repulsion energy	25.357381

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3486	3309	9.53	85.58	0.01	0.02
2	A₁	2441	2318	83.55	88.88	0.03	0.06
3	A₁	1375	1305	166.33	6.11	0.15	0.26
4	A₁	1194	1133	98.39	1.73	0.31	0.48
5	A₁	642	609	25.86	3.97	0.42	0.59
6	A₂	277	263	0.00	0.00	0.00	0.00
7	E	3635	3451	34.25	40.06	0.75	0.86
7	E	3635	3451	34.25	40.06	0.75	0.86
8	E	2547	2418	283.96	52.78	0.75	0.86
8	E	2547	2418	283.96	52.78	0.75	0.86
9	E	1715	1628	32.19	9.67	0.75	0.86
9	E	1715	1628	32.19	9.67	0.75	0.86
10	E	1190	1130	5.92	9.21	0.75	0.86
10	E	1190	1130	5.92	9.21	0.75	0.86
11	E	1070	1016	49.01	8.18	0.75	0.86
11	E	1070	1016	49.01	8.18	0.75	0.86
12	E	639	606	5.85	2.05	0.75	0.86
12	E	639	606	5.85	2.05	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
B1	0.000	0.000	-0.945
N2	0.000	0.000	0.737
H3	0.000	-1.181	-1.249
H4	-1.023	0.591	-1.249
H5	1.023	0.591	-1.249
H6	0.000	0.958	1.103
H7	-0.830	-0.479	1.103
H8	0.830	-0.479	1.103

	B1	N2	H3	H4	H5	H6	H7	H8
B1		1.6820	1.2199	1.2199	1.2199	2.2612	2.2612	2.2612
N2	1.6820		2.3114	2.3114	2.3114	1.0259	1.0259	1.0259
H3	1.2199	2.3114		2.0459	2.0459	3.1802	2.5919	2.5919
H4	1.2199	2.3114	2.0459		2.0459	2.5919	2.5919	3.1802
H5	1.2199	2.3114	2.0459	2.0459		2.5919	3.1802	2.5919
H6	2.2612	1.0259	3.1802	2.5919	2.5919		1.6600	1.6600
H7	2.2612	1.0259	2.5919	2.5919	3.1802	1.6600		1.6600
H8	2.2612	1.0259	2.5919	3.1802	2.5919	1.6600	1.6600

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
B1	N2	H6	110.909	B1	N2	H7	110.909
B1	N2	H8	110.909	N2	B1	H3	104.470
N2	B1	H4	104.470	N2	B1	H5	104.470
H3	B1	H4	113.976	H3	B1	H5	113.976
H4	B1	H5	113.975	H6	N2	H7	107.996
H6	N2	H8	107.996	H7	N2	H8	107.996

All results from a given calculation for BH₃NH₃ (borane ammonia)

using model chemistry: MP2/CEP-31G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BH3NH3 (borane ammonia)

using model chemistry: MP2/CEP-31G*

States and conformations

All results from a given calculation for BH₃NH₃ (borane ammonia)